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canSAR781520
FEATURES
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NAMES
    SMILES
    CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSCC(C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1
    InChI
    InChI=1S/C78H102N16O17S2/c1-43(2)82-38-50-29-27-49(28-30-50)35-58-73(105)93-65(44(3)96)76(108)90-59(34-48-22-12-7-13-23-48)74(106)94-66(45(4)97)77(109)91-62(40-95)75(107)92-63(78(110)111)42-113-112-41-53(80)67(99)84-55(26-16-17-31-79)68(100)89-61(37-64(81)98)72(104)86-56(32-46-18-8-5-9-19-46)69(101)85-57(33-47-20-10-6-11-21-47)70(102)88-60(71(103)87-58)36-51-39-83-54-25-15-14-24-52(51)54/h5-15,18-25,27-30,39,43-45,53,55-63,65-66,82-83,95-97H,16-17,26,31-38,40-42,79-80H2,1-4H3,(H2,81,98)(H,84,99)(H,85,101)(H,86,104)(H,87,103)(H,88,102)(H,89,100)(H,90,108)(H,91,109)(H,92,107)(H,93,105)(H,94,106)(H,110,111)/t44-,45-,53-,55-,56-,57+,58+,59+,60-,61+,62+,63?,65-,66-/m1/s1
    MOLECULAR FORMULA
    C78H102N16O17S2
    CROSS REFERENCES
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    canSAR781520

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1598.71
    AlogP -1.92
    HBond donors 23
    HBond acceptors 33
    Atoms 215
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR781520.